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83647-97-6

83647-97-6 structural image
Product Name: Spirapril
Formula: C22H30N2O5S2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Solubility 2.93e-02 g/L

COMPUTED DESCRIPTORS

Molecular Weight 466.6 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 10
Exact Mass 466.15961441 g/mol
Monoisotopic Mass 466.15961441 g/mol
Topological Polar Surface Area 147 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 650
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Spirapril is a dipeptide, a dithioketal, an azaspiro compound, a dicarboxylic acid monoester, an ethyl ester, a tertiary carboxamide, a secondary amino compound and a pyrrolidinecarboxylic acid. It has a role as a prodrug, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and an antihypertensive agent. It is functionally related to a spiraprilat.